1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea Traditional Name: 3-ethyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C23H25N3O3S/c1-4-24-23(30)26(11-16-5-6-20-21(9-16)29-13-28-20)12-18-10-17-7-14(2)15(3)8-19(17)25-22(18)27/h5-10H,4,11-13H2,1-3H3,(H,24,30)(H,25,27)